2-azanyl-1-ethynyl-6-[8-(3-fluorophenyl)-9-(2-oxidanylpropyl)purin-2-yl]cyclohexan-1-ol hydrochloride

Systemtic Name: 2-azanyl-1-ethynyl-6-[8-(3-fluorophenyl)-9-(2-oxidanylpropyl)purin-2-yl]cyclohexan-1-ol hydrochloride Openeye Name: 2-amino-1-ethynyl-6-[8-(3-fluorophenyl)-9-(2-hydroxypropyl)purin-2-yl]cyclohexanol hydrochloride CAS Name: 2-amino-1-ethynyl-6-[8-(3-fluorophenyl)-9-(2-hydroxypropyl)-2-purinyl]-1-cyclohexanol hydrochloride IUPAC Name: 2-amino-1-ethynyl-6-[8-(3-fluorophenyl)-9-(2-hydroxypropyl)purin-2-yl]cyclohexan-1-ol hydrochloride Traditional Name: 2-amino-1-ethynyl-6-[8-(3-fluorophenyl)-9-(2-hydroxypropyl)purin-2-yl]cyclohexanol hydrochloride Formula: C22H25ClFN5O2 MolecularWeight: 445.917603

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C(=NC2=CN=C(N=C21)C3CCCC(C3(C#C)O)N)C4=CC(=CC=C4)F)O.Cl

Isomeric SMILES

CC(CN1C(=NC2=CN=C(N=C21)C3CCCC(C3(C#C)O)N)C4=CC(=CC=C4)F)O.Cl

InChI

InChI=1S/C22H24FN5O2.ClH/c1-3-22(30)16(8-5-9-18(22)24)19-25-11-17-21(27-19)28(12-13(2)29)20(26-17)14-6-4-7-15(23)10-14;/h1,4,6-7,10-11,13,16,18,29-30H,5,8-9,12,24H2,2H3;1H